2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid

C19H33NO2 — CID 134308641

IUPAC2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid
SMILESNC1CCC(C2CCC([C@@H]3CCC(CC(=O)O)C3)CC2)CC1
InChIInChI=1S/C19H33NO2/c20-18-9-7-15(8-10-18)14-3-5-16(6-4-14)17-2-1-13(11-17)12-19(21)22/h13-18H,1-12,20H2,(H,21,22)/t13?,14?,15?,16?,17-,18?/m1/s1
InChIKeyXYOXFXOZYNZQPT-SVXFNXITSA-N
MW307.48 g/mol
LogP4.20
Rot. Bonds4

About 2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid

2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid (PubChem CID 134308641) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid
PubChem CID134308641
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid
SMILESNC1CCC(C2CCC([C@@H]3CCC(CC(=O)O)C3)CC2)CC1
InChIInChI=1S/C19H33NO2/c20-18-9-7-15(8-10-18)14-3-5-16(6-4-14)17-2-1-13(11-17)12-19(21)22/h13-18H,1-12,20H2,(H,21,22)/t13?,14?,15?,16?,17-,18?/m1/s1
InChIKeyXYOXFXOZYNZQPT-SVXFNXITSA-N
XLogP4.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid (CID 134308641) is 2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid is NC1CCC(C2CCC([C@@H]3CCC(CC(=O)O)C3)CC2)CC1.
What is the InChIKey of 2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid?
The InChIKey is XYOXFXOZYNZQPT-SVXFNXITSA-N. The full InChI is InChI=1S/C19H33NO2/c20-18-9-7-15(8-10-18)14-3-5-16(6-4-14)17-2-1-13(11-17)12-19(21)22/h13-18H,1-12,20H2,(H,21,22)/t13?,14?,15?,16?,17-,18?/m1/s1.
What are the key properties of 2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid?
2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid has a molecular weight of 307.48 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[4-(4-aminocyclohexyl)cyclohexyl]cyclopentyl]acetic acid is sourced from PubChem (CID 134308641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).